Task 38650105
| Name | test_664-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND5654_0 |
| Workunit | 31594631 |
| Created | 23 Oct 2026, 22:45:16 UTC |
| Sent | 23 Oct 2026, 22:51:54 UTC |
| Report deadline | 28 Oct 2026, 22:51:54 UTC |
| Received | 24 Oct 2026, 23:02:09 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642945 |
| Run time | 37 min 47 sec |
| CPU time | 37 min 5 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,848.68 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 694.35 MB |
| Peak swap size | 5.34 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:53:40 (75668): wrapper (7.9.26016): starting
07:53:40 (75668): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
07:53:42 (75668): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:53:42 (75668): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\9\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\9\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835275} normal block at 0x0000022B1DEFDD90, 8 bytes long.
Data: < W + > 00 00 57 1E 2B 02 00 00
..\lib\diagnostics_win.cpp(417) : {3834072} normal block at 0x0000022B1DEEDDA0, 1080 bytes long.
Data: < ` > 08 60 01 00 CD CD CD CD FC 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000022B1DF02480, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
08:35:21 (92056): wrapper (7.9.26016): starting
08:35:21 (92056): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\9\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1512} normal block at 0x000001A438AF6820, 8 bytes long.
Data: < W: > 00 00 57 3A A4 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001A438AF5A20, 1080 bytes long.
Data: <lC H > 6C 43 01 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
08:54:17 (28272): wrapper (7.9.26016): starting
08:54:17 (28272): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\9\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1512} normal block at 0x00000279BA2D6C40, 8 bytes long.
Data: < * y > 00 00 2A BA 79 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x00000279BA2D70D0, 1080 bytes long.
Data: < H > 00 B2 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
19:40:59 (38024): wrapper (7.9.26016): starting
19:40:59 (38024): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\9\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1512} normal block at 0x0000020971546960, 8 bytes long.
Data: < q > 00 00 AD 71 09 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000020971545A20, 1080 bytes long.
Data: < Y > AC 59 00 00 CD CD CD CD BC 00 00 00 00 00 00 00
Object dump complete.
07:37:08 (60688): wrapper (7.9.26016): starting
07:37:08 (60688): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\9\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
08:01:23 (60688): C:/Windows/system32/cmd.exe exited; CPU time 1386.000000
08:01:23 (60688): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 35629964 bytes.
Dumping objects ->
{1600} normal block at 0x0000024D8B8444A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1589} normal block at 0x0000024D8B844190, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1578} normal block at 0x0000024D8B8442E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1567} normal block at 0x0000024D8B8440B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1556} normal block at 0x0000024D8B843DA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1525} normal block at 0x0000024D8B82BB80, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1512} normal block at 0x0000024D8B8465F0, 8 bytes long.
Data: < M > 00 00 D9 8B 4D 02 00 00
{310} normal block at 0x0000024D8B846AA0, 8 bytes long.
Data: < U M > C0 55 84 8B 4D 02 00 00
{301} normal block at 0x0000024D8B8373A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000024D8B846280, 16 bytes long.
Data: < n M > 88 6E 84 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000024D8B845FB0, 16 bytes long.
Data: <`n M > 60 6E 84 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000024D8B83F830, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000024D8B846A50, 16 bytes long.
Data: <8n M > 38 6E 84 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000024D8B846050, 16 bytes long.
Data: < n M > 10 6E 84 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000024D8B846A00, 16 bytes long.
Data: < m M > E8 6D 84 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024D8B846960, 16 bytes long.
Data: < m M > C0 6D 84 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024D8B844430, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x0000024D8B8463C0, 16 bytes long.
Data: < M > 18 94 83 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024D8B840130, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x0000024D8B8461E0, 16 bytes long.
Data: < M > F0 93 83 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024D8B845E70, 16 bytes long.
Data: < M > C8 93 83 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024D8B845E20, 16 bytes long.
Data: < M > A0 93 83 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024D8B845D80, 16 bytes long.
Data: <x M > 78 93 83 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024D8B846320, 16 bytes long.
Data: <P M > 50 93 83 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024D8B8462D0, 16 bytes long.
Data: <( M > 28 93 83 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024D8B83FC50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000024D8B846910, 16 bytes long.
Data: < M > 00 93 83 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024D8B839300, 320 bytes long.
Data: < i M P M > 10 69 84 8B 4D 02 00 00 50 FC 83 8B 4D 02 00 00
{280} normal block at 0x0000024D8B846000, 16 bytes long.
Data: < m M > A0 6D 84 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024D8B8468C0, 16 bytes long.
Data: <xm M > 78 6D 84 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024D8B8400D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000024D8B845D30, 16 bytes long.
Data: <Pm M > 50 6D 84 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024D8B83FB30, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000024D8B845F10, 16 bytes long.
Data: < l M > 98 6C 84 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024D8B8465A0, 16 bytes long.
Data: <pl M > 70 6C 84 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024D8B846140, 16 bytes long.
Data: <Hl M > 48 6C 84 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024D8B846370, 16 bytes long.
Data: < l M > 20 6C 84 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024D8B846870, 16 bytes long.
Data: < k M > F8 6B 84 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024D8B8460A0, 16 bytes long.
Data: < k M > D0 6B 84 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024D8B845EC0, 16 bytes long.
Data: < C M > C0 43 84 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024D8B8443C0, 40 bytes long.
Data: < ^ M M > C0 5E 84 8B 4D 02 00 00 80 BB 82 8B 4D 02 00 00
{266} normal block at 0x0000024D8B846230, 16 bytes long.
Data: < k M > B0 6B 84 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024D8B8460F0, 16 bytes long.
Data: < k M > 88 6B 84 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024D8B840250, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000024D8B845CE0, 16 bytes long.
Data: <`k M > 60 6B 84 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024D8B846B60, 992 bytes long.
Data: < \ M P M > E0 5C 84 8B 4D 02 00 00 50 02 84 8B 4D 02 00 00
{98} normal block at 0x0000024D8B840070, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x0000024D8B83D840, 16 bytes long.
Data: <pB M > 70 42 84 8B 4D 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000024D8B844270, 40 bytes long.
Data: <@ M p M > 40 D8 83 8B 4D 02 00 00 70 00 84 8B 4D 02 00 00
{73} normal block at 0x0000024D8B83E010, 16 bytes long.
Data: < w > 80 EA 77 CF F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000024D8B83D7F0, 16 bytes long.
Data: <@ w > 40 E9 77 CF F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000024D8B83DC00, 16 bytes long.
Data: < Wt > F8 57 74 CF F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000024D8B83E240, 16 bytes long.
Data: < Wt > D8 57 74 CF F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000024D8B83DCF0, 16 bytes long.
Data: <P t > 50 04 74 CF F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024D8B83D930, 16 bytes long.
Data: <0 t > 30 04 74 CF F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024D8B83DBB0, 16 bytes long.
Data: < t > E0 02 74 CF F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024D8B83DFC0, 16 bytes long.
Data: < t > 10 04 74 CF F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024D8B83DD90, 16 bytes long.
Data: <p t > 70 04 74 CF F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024D8B83E420, 16 bytes long.
Data: < r > 18 C0 72 CF F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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